Quantum- chemical investigations on the functionalized 1H- pyrimidines

Quantum- chemical investigations on the functionalized 1H- pyrimidines

Conformational analysis and quantum-chemical calculations were carried out by means of the methods MMP2 and SCF MO LCAO in the CNDO/2 and MNDO approximation for the series of compounds being functionalized 1H- pyrimidines. The analysis of the electron density distribution depending on the substituents' nature was done on the basis of the data obtained.

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Turkish Journal of Chemistry-Cover
  • ISSN: 1300-0527
  • Yayın Aralığı: 6
  • Yayıncı: TÜBİTAK
Sayıdaki Diğer Makaleler

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Investigation of acid sites on $V_2O_5/TiO_2$(A) catalysts by FTIR with adsorption of pyridine

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Transmission Electron Microscopy (TEM) study of polycrystalline Ru: Ag/ alumina supported catalyst system

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Quantum- chemical investigations on the functionalized 1H- pyrimidines

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Crystal structure of tris (2- hydroxyethyl) ammonium bromide

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